6-[[2-(triazol-1-yl)anilino]methyl]pyridin-3-ol

C14H13N5O — CID 79775616

IUPAC6-[[2-(triazol-1-yl)anilino]methyl]pyridin-3-ol
SMILESOc1ccc(CNc2ccccc2-n2ccnn2)nc1
InChIInChI=1S/C14H13N5O/c20-12-6-5-11(15-10-12)9-16-13-3-1-2-4-14(13)19-8-7-17-18-19/h1-8,10,16,20H,9H2
InChIKeyZIHNJJSJPRPVQO-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.98
Rot. Bonds4

About 6-[[2-(triazol-1-yl)anilino]methyl]pyridin-3-ol

6-[[2-(triazol-1-yl)anilino]methyl]pyridin-3-ol (PubChem CID 79775616) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 6-[[2-(triazol-1-yl)anilino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[[2-(triazol-1-yl)anilino]methyl]pyridin-3-ol
PubChem CID79775616
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name6-[[2-(triazol-1-yl)anilino]methyl]pyridin-3-ol
SMILESOc1ccc(CNc2ccccc2-n2ccnn2)nc1
InChIInChI=1S/C14H13N5O/c20-12-6-5-11(15-10-12)9-16-13-3-1-2-4-14(13)19-8-7-17-18-19/h1-8,10,16,20H,9H2
InChIKeyZIHNJJSJPRPVQO-UHFFFAOYSA-N
XLogP1.98
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2-piperidin-1-ylanilino)methyl]pyridin-3-ol
CID 79781647
4-chloro-2-[[2-(triazol-1-yl)anilino]methyl]phenol
CID 43676172
N-prop-2-ynyl-2-(triazol-1-yl)aniline
CID 63951872
6-[(2-phenylanilino)methyl]pyridin-3-ol
CID 79781629
N-[(5-chlorofuran-2-yl)methyl]-2-(triazol-1-yl)aniline
CID 60780238
N-[(3-bromofuran-2-yl)methyl]-2-(triazol-1-yl)aniline
CID 106885128
6-(anilinomethyl)pyridin-3-ol
CID 79787965
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(triazol-1-yl)aniline
CID 66163095
6-[[2-(difluoromethylsulfanyl)anilino]methyl]pyridin-3-ol
CID 79776271
N-[(4-bromo-2-fluorophenyl)methyl]-2-(triazol-1-yl)aniline
CID 43676139
N-[(3-bromo-4-chlorophenyl)methyl]-2-(triazol-1-yl)aniline
CID 83232418
6-[(2-propan-2-yloxyanilino)methyl]pyridin-3-ol
CID 79782862

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(triazol-1-yl)anilino]methyl]pyridin-3-ol?
The IUPAC name of 6-[[2-(triazol-1-yl)anilino]methyl]pyridin-3-ol (CID 79775616) is 6-[[2-(triazol-1-yl)anilino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-[[2-(triazol-1-yl)anilino]methyl]pyridin-3-ol?
The canonical SMILES for 6-[[2-(triazol-1-yl)anilino]methyl]pyridin-3-ol is Oc1ccc(CNc2ccccc2-n2ccnn2)nc1.
What is the InChIKey of 6-[[2-(triazol-1-yl)anilino]methyl]pyridin-3-ol?
The InChIKey is ZIHNJJSJPRPVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c20-12-6-5-11(15-10-12)9-16-13-3-1-2-4-14(13)19-8-7-17-18-19/h1-8,10,16,20H,9H2.
What are the key properties of 6-[[2-(triazol-1-yl)anilino]methyl]pyridin-3-ol?
6-[[2-(triazol-1-yl)anilino]methyl]pyridin-3-ol has a molecular weight of 267.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(triazol-1-yl)anilino]methyl]pyridin-3-ol is sourced from PubChem (CID 79775616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).